2-(3-methylphenoxy)ethyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate

C19H19NO4 — CID 46646110

IUPAC2-(3-methylphenoxy)ethyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate
SMILESCc1cccc(OCCOC(=O)c2ccc3c(c2)CCC(=O)N3)c1
InChIInChI=1S/C19H19NO4/c1-13-3-2-4-16(11-13)23-9-10-24-19(22)15-5-7-17-14(12-15)6-8-18(21)20-17/h2-5,7,11-12H,6,8-10H2,1H3,(H,20,21)
InChIKeyFGGCHFRYPHMZOQ-UHFFFAOYSA-N
MW325.36 g/mol
LogP3.12
Rot. Bonds5

About 2-(3-methylphenoxy)ethyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate

2-(3-methylphenoxy)ethyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate (PubChem CID 46646110) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is 2-(3-methylphenoxy)ethyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate.

Molecular Properties

Compound Name2-(3-methylphenoxy)ethyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate
PubChem CID46646110
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Name2-(3-methylphenoxy)ethyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate
SMILESCc1cccc(OCCOC(=O)c2ccc3c(c2)CCC(=O)N3)c1
InChIInChI=1S/C19H19NO4/c1-13-3-2-4-16(11-13)23-9-10-24-19(22)15-5-7-17-14(12-15)6-8-18(21)20-17/h2-5,7,11-12H,6,8-10H2,1H3,(H,20,21)
InChIKeyFGGCHFRYPHMZOQ-UHFFFAOYSA-N
XLogP3.12
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-ethoxyphenoxy)ethyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate
CID 17483624
2-(3-methylphenoxy)ethyl 4-(2-oxopyrrolidin-1-yl)benzoate
CID 7404577
2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl 2-oxo-1H-pyridine-3-carboxylate
CID 56824771
methyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate
CID 9451992
2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl quinoxaline-5-carboxylate
CID 166211201
[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 3-[(3-methylphenyl)sulfamoyl]benzoate
CID 55499851
N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 31641805
4-(1,3-dioxoisoindol-2-yl)butyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate
CID 46646113
2-(3-methylphenoxy)ethyl 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate
CID 46688572
2-(3-methylphenoxy)ethyl 3-(methoxymethyl)benzoate
CID 55386133
(4-fluorophenyl)methyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate
CID 18101048
2-(3-methylphenoxy)ethyl 4-methyl-3-nitrobenzoate
CID 2628355

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenoxy)ethyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate?
The IUPAC name of 2-(3-methylphenoxy)ethyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate (CID 46646110) is 2-(3-methylphenoxy)ethyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate.
What is the SMILES notation for 2-(3-methylphenoxy)ethyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate?
The canonical SMILES for 2-(3-methylphenoxy)ethyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate is Cc1cccc(OCCOC(=O)c2ccc3c(c2)CCC(=O)N3)c1.
What is the InChIKey of 2-(3-methylphenoxy)ethyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate?
The InChIKey is FGGCHFRYPHMZOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4/c1-13-3-2-4-16(11-13)23-9-10-24-19(22)15-5-7-17-14(12-15)6-8-18(21)20-17/h2-5,7,11-12H,6,8-10H2,1H3,(H,20,21).
What are the key properties of 2-(3-methylphenoxy)ethyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate?
2-(3-methylphenoxy)ethyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate has a molecular weight of 325.36 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenoxy)ethyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate is sourced from PubChem (CID 46646110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).